Saturday, October 05 2024 21:55:56
UNRES
7.66s| Energy 1l2y_micro | |
|---|---|
| Exit Value | 1 |
| Processors | [Graph]1 |
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CTEST_FULL_OUTPUT
Note: The following floating-point exceptions are signalling: IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP Bye Bye...
2
2
indpdb= 0 pdbref= T
ns= 0
Call Read_Bridge.
ns= 0
Total wall clock time 7.3633639812469482 sec
Processor 0 BROADCAST time 8.8036775588989258E-002 REDUCE time 0.54815530776977539 GATHER time 0.0000000000000000 SCATTER time 4.2249917984008789E-002 SENDRECV 0.0000000000000000 BARRIER ene 0.25611114501953125 BARRIER grad 8.4101676940917969E-002
CG processor 0 is finishing work.
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ] 0.12117934226989746 order[ 1 ] 6.5679788589477539E-002 order[ 2 ] 6.0134700169990685E-154 order[ 3 ] 6.0134700169990685E-154 order[ 4 ] 0.93368053436279297 order[ 5 ] 1.1252449407328499E-310 order[ 6 ] 6.0134700169990685E-154 order[ 7 ] 0.19457483291625977 order[ 8 ] 4.9406564584124654E-324 order[ 9 ] 1.1252449407933729E-310 order[ 10 ] 4.6759596104202850E-310
average total energy 182.788
standard deviation 0.000638783
<DartMeasurementFile name="Energy 1l2y_micro" type="image/png">/tmp/cdash/devel/build/source/unres/src_MD-M-SAXS-homology/1l2y_micro_GB000.stat_ene.png</DartMeasurementFile>
difference 102.888 from reference ave etot 79.9 greater than 6.0
